methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate

C18H16N2O3 — CID 129094981

IUPACmethyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2cc(C(=O)NCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C18H16N2O3/c1-23-18(22)16-10-14-9-13(7-8-15(14)20-16)17(21)19-11-12-5-3-2-4-6-12/h2-10,20H,11H2,1H3,(H,19,21)
InChIKeyYUECUXOTBZQKAD-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.88
Rot. Bonds4

About methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate

methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate (PubChem CID 129094981) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate
PubChem CID129094981
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Namemethyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate
SMILESCOC(=O)c1cc2cc(C(=O)NCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C18H16N2O3/c1-23-18(22)16-10-14-9-13(7-8-15(14)20-16)17(21)19-11-12-5-3-2-4-6-12/h2-10,20H,11H2,1H3,(H,19,21)
InChIKeyYUECUXOTBZQKAD-UHFFFAOYSA-N
XLogP2.88
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-methyl-1H-indole-5-carboxamide
CID 110695037
methyl 4-[[(5-chloro-1H-indole-2-carbonyl)amino]methyl]benzoate
CID 46559753
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride
CID 44664335
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
ethyl 5-[2-[(4-phenylmethoxycarbonylphenyl)methylcarbamoyl]-4-pyridinyl]-1H-indole-2-carboxylate
CID 66989065
methyl 5-[[3-(benzamidomethyl)phenyl]methylamino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 90258756
5-ethyl-N-[(3-hydroxy-5-phenylmethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 142237610
5-methyl-N-[[3-(phenylcarbamoyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 46475216
ethyl 5-[(5-chloro-2-methoxyphenyl)methylcarbamoyl]-1H-indole-2-carboxylate
CID 112833767
methyl 4-[[3-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28638986

Frequently Asked Questions

What is the IUPAC name of methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate?
The IUPAC name of methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate (CID 129094981) is methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate?
The canonical SMILES for methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate is COC(=O)c1cc2cc(C(=O)NCc3ccccc3)ccc2[nH]1.
What is the InChIKey of methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate?
The InChIKey is YUECUXOTBZQKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-23-18(22)16-10-14-9-13(7-8-15(14)20-16)17(21)19-11-12-5-3-2-4-6-12/h2-10,20H,11H2,1H3,(H,19,21).
What are the key properties of methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate?
methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(benzylcarbamoyl)-1H-indole-2-carboxylate is sourced from PubChem (CID 129094981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).